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Ligand · XSR

XSR · 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium

XSR, 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium (C39 H47 F3 N3 O5 Si +1, 722.9 g/mol), in the MolNFT structures…

Component
XSR
Formula
C39 H47 F3 N3 O5 Si +1
Class
ligand
Structures
1
PDB entries
1

Binding sites

XSR in 1 structure; the first of them:

  • 8SW8 · Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand · XSR AAA301 · binds ASN41, ASP106, TRP107, PHE144, ALA145, THR148, PHE149, GLN165 and 11 more

Residues it binds most

PHE 1, ASN 1, GLY 1, THR 1, VAL 1, ALA 1, ASP 1, GLN 1, GLU 1, LEU 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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